Natural Product: NPC158347

Natural Product ID:  NPC158347
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C33H52O4
Standard InCHIKey:  UKMCPHKTWARBEJ-FHUIVYTKSA-N
Standard InCHI:  InChI=1S/C33H52O4/c1-27(2)15-16-29(5)17-18-33(26(34)35)21(22(29)19-27)9-10-24-30(6)13-12-25-31(7,20-36-28(3,4)37-25)23(30)11-14-32(24,33)8/h9,22-25H,10-20H2,1-8H3,(H,34,35)/t22-,23+,24+,25+,29+,30-,31-,32+,33+/m0/s1
Canonical SMILES:  OC(=O)[C@@]12CC[C@@]3([C@H](C1=CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)COC(O1)(C)C)CC(CC3)(C)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO24475 Aceriphyllum rossii NA NA NA PMID[19618898]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 > 150000 nM 25798528
NPT2 Others Unspecified IC50 > 150000 nM 25798528

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC158347 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9444 High Similarity NPC60755
0.9444 High Similarity NPC470590
0.9444 High Similarity NPC285184
0.9444 High Similarity NPC77099
0.9348 High Similarity NPC195715
0.9341 High Similarity NPC86368
0.9333 High Similarity NPC120840
0.9333 High Similarity NPC474728
0.9333 High Similarity NPC113989
0.9239 High Similarity NPC184006
0.9239 High Similarity NPC78580
0.9239 High Similarity NPC23621
0.9222 High Similarity NPC30522
0.9158 High Similarity NPC475156
0.9158 High Similarity NPC473576
0.914 High Similarity NPC23241
0.9121 High Similarity NPC111110
0.9121 High Similarity NPC470589
0.9121 High Similarity NPC126369
0.9082 High Similarity NPC475611
0.9043 High Similarity NPC327179
0.9032 High Similarity NPC296164
0.9032 High Similarity NPC74751
0.9032 High Similarity NPC474963
0.9011 High Similarity NPC143232
0.9011 High Similarity NPC470588
0.9011 High Similarity NPC293048
0.9011 High Similarity NPC274330
0.9011 High Similarity NPC234346
0.9011 High Similarity NPC270768
0.9011 High Similarity NPC127689
0.9011 High Similarity NPC130520
0.9011 High Similarity NPC198664
0.9011 High Similarity NPC61543
0.9011 High Similarity NPC121798
0.9011 High Similarity NPC263393
0.9011 High Similarity NPC225585
0.9011 High Similarity NPC59263
0.9 High Similarity NPC46912
0.9 High Similarity NPC162107
0.899 High Similarity NPC283849
0.899 High Similarity NPC473538
0.8947 High Similarity NPC476878
0.8947 High Similarity NPC26413
0.8947 High Similarity NPC476879
0.8936 High Similarity NPC474727
0.8925 High Similarity NPC229281
0.8913 High Similarity NPC130278
0.8911 High Similarity NPC274507
0.8901 High Similarity NPC290690
0.8901 High Similarity NPC182797
0.8901 High Similarity NPC17733
0.8901 High Similarity NPC181225
0.8901 High Similarity NPC474512
0.8901 High Similarity NPC52169
0.8901 High Similarity NPC40552
0.8901 High Similarity NPC473242
0.8901 High Similarity NPC246708
0.8901 High Similarity NPC470629
0.89 High Similarity NPC28198
0.89 High Similarity NPC284807
0.89 High Similarity NPC177246
0.89 High Similarity NPC476123
0.8889 High Similarity NPC91525
0.8889 High Similarity NPC10005
0.8889 High Similarity NPC329943
0.8889 High Similarity NPC9892
0.8854 High Similarity NPC260149
0.8854 High Similarity NPC58942
0.8842 High Similarity NPC230151
0.883 High Similarity NPC159365
0.883 High Similarity NPC6818
0.883 High Similarity NPC191412
0.883 High Similarity NPC114159
0.8824 High Similarity NPC235841
0.8824 High Similarity NPC108748
0.8824 High Similarity NPC297208
0.8824 High Similarity NPC211798
0.8824 High Similarity NPC191763
0.8824 High Similarity NPC473481
0.8824 High Similarity NPC30397
0.8817 High Similarity NPC187722
0.8817 High Similarity NPC288833
0.8817 High Similarity NPC324341
0.8817 High Similarity NPC228784
0.8817 High Similarity NPC966
0.8817 High Similarity NPC155120
0.8817 High Similarity NPC282616
0.8812 High Similarity NPC127853
0.8812 High Similarity NPC237503
0.8812 High Similarity NPC204407
0.8812 High Similarity NPC57362
0.8812 High Similarity NPC167383
0.8812 High Similarity NPC306746
0.8804 High Similarity NPC475049
0.8804 High Similarity NPC290972
0.8804 High Similarity NPC25906
0.8804 High Similarity NPC64872
0.8791 High Similarity NPC88716
0.8791 High Similarity NPC171203
0.8791 High Similarity NPC18064
0.8791 High Similarity NPC68160
0.8791 High Similarity NPC130577
0.8791 High Similarity NPC98442
0.8791 High Similarity NPC51700
0.8791 High Similarity NPC242468
0.8791 High Similarity NPC307426
0.8791 High Similarity NPC142415
0.8791 High Similarity NPC293564
0.8791 High Similarity NPC102683
0.8738 High Similarity NPC116794
0.8738 High Similarity NPC256798
0.8738 High Similarity NPC37739
0.8738 High Similarity NPC46388
0.8738 High Similarity NPC128925
0.8725 High Similarity NPC7870
0.8725 High Similarity NPC29069
0.8725 High Similarity NPC476887
0.8725 High Similarity NPC242611
0.8725 High Similarity NPC199457
0.8725 High Similarity NPC127056
0.8725 High Similarity NPC108709
0.8725 High Similarity NPC476885
0.8725 High Similarity NPC476886
0.8725 High Similarity NPC475296
0.8725 High Similarity NPC174679
0.8725 High Similarity NPC75747
0.8725 High Similarity NPC279554
0.8725 High Similarity NPC59804
0.8725 High Similarity NPC270667
0.8725 High Similarity NPC476880
0.8725 High Similarity NPC476884
0.8725 High Similarity NPC136877
0.8725 High Similarity NPC56713
0.8725 High Similarity NPC68419
0.8725 High Similarity NPC476883
0.8725 High Similarity NPC476882
0.8725 High Similarity NPC476881
0.8725 High Similarity NPC474589
0.8725 High Similarity NPC102914
0.8725 High Similarity NPC90856
0.8725 High Similarity NPC110139
0.8725 High Similarity NPC164194
0.8723 High Similarity NPC49776
0.8723 High Similarity NPC136313
0.8723 High Similarity NPC74855
0.8723 High Similarity NPC214756
0.8723 High Similarity NPC158059
0.8723 High Similarity NPC272075
0.8723 High Similarity NPC63118
0.8723 High Similarity NPC118519
0.8723 High Similarity NPC474436
0.8723 High Similarity NPC202728
0.8723 High Similarity NPC307335
0.8723 High Similarity NPC295643
0.871 High Similarity NPC172361
0.871 High Similarity NPC7260
0.871 High Similarity NPC210037
0.871 High Similarity NPC86372
0.871 High Similarity NPC290614
0.871 High Similarity NPC477872
0.871 High Similarity NPC291028
0.871 High Similarity NPC273621
0.871 High Similarity NPC18872
0.871 High Similarity NPC227467
0.871 High Similarity NPC120968
0.8696 High Similarity NPC224145
0.8681 High Similarity NPC325594
0.8681 High Similarity NPC72638
0.8673 High Similarity NPC54909
0.8673 High Similarity NPC233012
0.866 High Similarity NPC164349
0.866 High Similarity NPC471966
0.8654 High Similarity NPC269315
0.8654 High Similarity NPC271138
0.8654 High Similarity NPC189884
0.8654 High Similarity NPC138334
0.8654 High Similarity NPC124296
0.8654 High Similarity NPC258885
0.8654 High Similarity NPC204458
0.8654 High Similarity NPC47063
0.8646 High Similarity NPC204961
0.8646 High Similarity NPC476318
0.8646 High Similarity NPC98874
0.8646 High Similarity NPC132824
0.8646 High Similarity NPC73004
0.8646 High Similarity NPC476327
0.8646 High Similarity NPC116457
0.8646 High Similarity NPC173744
0.8641 High Similarity NPC31839
0.8641 High Similarity NPC179434
0.8641 High Similarity NPC164419
0.8632 High Similarity NPC80365
0.8632 High Similarity NPC263548
0.8632 High Similarity NPC88116
0.8632 High Similarity NPC222047
0.8632 High Similarity NPC231063
0.8632 High Similarity NPC145667
0.8632 High Similarity NPC91010
0.8632 High Similarity NPC32407

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC158347 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.9032 High Similarity NPD7748 Approved
0.875 High Similarity NPD7902 Approved
0.8617 High Similarity NPD7515 Phase 2
0.8438 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8438 Intermediate Similarity NPD7900 Approved
0.8041 Intermediate Similarity NPD8035 Phase 2
0.8041 Intermediate Similarity NPD8034 Phase 2
0.7959 Intermediate Similarity NPD6399 Phase 3
0.7925 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7912 Intermediate Similarity NPD7645 Phase 2
0.7909 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7807 Intermediate Similarity NPD8328 Phase 3
0.7789 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7677 Intermediate Similarity NPD6411 Approved
0.7551 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD6882 Approved
0.75 Intermediate Similarity NPD4786 Approved
0.7477 Intermediate Similarity NPD5739 Approved
0.7477 Intermediate Similarity NPD6675 Approved
0.7477 Intermediate Similarity NPD7128 Approved
0.7477 Intermediate Similarity NPD6402 Approved
0.7475 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD6101 Approved
0.7475 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD3667 Approved
0.7449 Intermediate Similarity NPD3573 Approved
0.7407 Intermediate Similarity NPD6412 Phase 2
0.7404 Intermediate Similarity NPD7638 Approved
0.7347 Intermediate Similarity NPD5330 Approved
0.7347 Intermediate Similarity NPD7146 Approved
0.7347 Intermediate Similarity NPD7521 Approved
0.7347 Intermediate Similarity NPD7334 Approved
0.7347 Intermediate Similarity NPD6409 Approved
0.7347 Intermediate Similarity NPD6684 Approved
0.7347 Intermediate Similarity NPD3618 Phase 1
0.7339 Intermediate Similarity NPD6881 Approved
0.7339 Intermediate Similarity NPD6899 Approved
0.7339 Intermediate Similarity NPD7320 Approved
0.7333 Intermediate Similarity NPD7640 Approved
0.7333 Intermediate Similarity NPD7639 Approved
0.7321 Intermediate Similarity NPD8133 Approved
0.7308 Intermediate Similarity NPD6084 Phase 2
0.7308 Intermediate Similarity NPD6083 Phase 2
0.73 Intermediate Similarity NPD5328 Approved
0.7297 Intermediate Similarity NPD8130 Phase 1
0.7273 Intermediate Similarity NPD6373 Approved
0.7273 Intermediate Similarity NPD6372 Approved
0.7248 Intermediate Similarity NPD5701 Approved
0.7248 Intermediate Similarity NPD5697 Approved
0.7232 Intermediate Similarity NPD8297 Approved
0.7207 Intermediate Similarity NPD7290 Approved
0.7207 Intermediate Similarity NPD6883 Approved
0.7207 Intermediate Similarity NPD7102 Approved
0.72 Intermediate Similarity NPD6903 Approved
0.72 Intermediate Similarity NPD6672 Approved
0.72 Intermediate Similarity NPD5737 Approved
0.7182 Intermediate Similarity NPD6686 Approved
0.7157 Intermediate Similarity NPD6079 Approved
0.7143 Intermediate Similarity NPD6869 Approved
0.7143 Intermediate Similarity NPD6617 Approved
0.7143 Intermediate Similarity NPD6847 Approved
0.7143 Intermediate Similarity NPD6649 Approved
0.7143 Intermediate Similarity NPD3668 Phase 3
0.7143 Intermediate Similarity NPD6650 Approved
0.713 Intermediate Similarity NPD7115 Discovery
0.7117 Intermediate Similarity NPD6013 Approved
0.7117 Intermediate Similarity NPD6014 Approved
0.7117 Intermediate Similarity NPD6012 Approved
0.7115 Intermediate Similarity NPD5695 Phase 3
0.7107 Intermediate Similarity NPD7736 Approved
0.7083 Intermediate Similarity NPD7507 Approved
0.7075 Intermediate Similarity NPD5696 Approved
0.7034 Intermediate Similarity NPD8033 Approved
0.7027 Intermediate Similarity NPD6011 Approved
0.6991 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6981 Remote Similarity NPD4755 Approved
0.697 Remote Similarity NPD3133 Approved
0.697 Remote Similarity NPD3666 Approved
0.697 Remote Similarity NPD3665 Phase 1
0.6952 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6949 Remote Similarity NPD8294 Approved
0.6949 Remote Similarity NPD8377 Approved
0.6923 Remote Similarity NPD5778 Approved
0.6923 Remote Similarity NPD5779 Approved
0.6923 Remote Similarity NPD4202 Approved
0.6916 Remote Similarity NPD4225 Approved
0.6911 Remote Similarity NPD7319 Approved
0.6907 Remote Similarity NPD4695 Discontinued
0.6907 Remote Similarity NPD7525 Registered
0.6891 Remote Similarity NPD8379 Approved
0.6891 Remote Similarity NPD8335 Approved
0.6891 Remote Similarity NPD8296 Approved
0.6891 Remote Similarity NPD8380 Approved
0.6891 Remote Similarity NPD8378 Approved
0.6887 Remote Similarity NPD5222 Approved
0.6887 Remote Similarity NPD4697 Phase 3
0.6887 Remote Similarity NPD5221 Approved
0.6887 Remote Similarity NPD7614 Phase 1
0.6887 Remote Similarity NPD7732 Phase 3
0.6887 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6885 Remote Similarity NPD8293 Discontinued
0.686 Remote Similarity NPD7492 Approved
0.6852 Remote Similarity NPD5285 Approved
0.6852 Remote Similarity NPD5286 Approved
0.6852 Remote Similarity NPD4700 Approved
0.6852 Remote Similarity NPD4696 Approved
0.6847 Remote Similarity NPD6008 Approved
0.6842 Remote Similarity NPD6117 Approved
0.6838 Remote Similarity NPD6009 Approved
0.6832 Remote Similarity NPD6098 Approved
0.6822 Remote Similarity NPD5173 Approved
0.6807 Remote Similarity NPD6059 Approved
0.6807 Remote Similarity NPD6054 Approved
0.6803 Remote Similarity NPD6616 Approved
0.6796 Remote Similarity NPD6080 Approved
0.6796 Remote Similarity NPD6673 Approved
0.6796 Remote Similarity NPD6904 Approved
0.6796 Remote Similarity NPD4753 Phase 2
0.678 Remote Similarity NPD7328 Approved
0.678 Remote Similarity NPD7327 Approved
0.6771 Remote Similarity NPD6116 Phase 1
0.6768 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6752 Remote Similarity NPD6274 Approved
0.6752 Remote Similarity NPD6868 Approved
0.675 Remote Similarity NPD8516 Approved
0.675 Remote Similarity NPD8513 Phase 3
0.675 Remote Similarity NPD8515 Approved
0.675 Remote Similarity NPD8517 Approved
0.6748 Remote Similarity NPD7078 Approved
0.6737 Remote Similarity NPD6942 Approved
0.6737 Remote Similarity NPD7339 Approved
0.6727 Remote Similarity NPD5226 Approved
0.6727 Remote Similarity NPD7632 Discontinued
0.6727 Remote Similarity NPD5225 Approved
0.6727 Remote Similarity NPD5224 Approved
0.6727 Remote Similarity NPD4633 Approved
0.6727 Remote Similarity NPD5211 Phase 2
0.6723 Remote Similarity NPD7516 Approved
0.6723 Remote Similarity NPD7100 Approved
0.6723 Remote Similarity NPD7101 Approved
0.6701 Remote Similarity NPD6118 Approved
0.6701 Remote Similarity NPD6114 Approved
0.6701 Remote Similarity NPD6115 Approved
0.6701 Remote Similarity NPD6697 Approved
0.6694 Remote Similarity NPD6370 Approved
0.6667 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5175 Approved
0.6667 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5174 Approved
0.6667 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6639 Remote Similarity NPD6335 Approved
0.6636 Remote Similarity NPD5223 Approved
0.6632 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6612 Remote Similarity NPD6015 Approved
0.6612 Remote Similarity NPD6016 Approved
0.6612 Remote Similarity NPD6909 Approved
0.6612 Remote Similarity NPD6908 Approved
0.6612 Remote Similarity NPD7503 Approved
0.6609 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6607 Remote Similarity NPD5141 Approved
0.66 Remote Similarity NPD4221 Approved
0.66 Remote Similarity NPD4223 Phase 3
0.6581 Remote Similarity NPD4632 Approved
0.6579 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6569 Remote Similarity NPD1694 Approved
0.6569 Remote Similarity NPD5329 Approved
0.6557 Remote Similarity NPD5988 Approved
0.6555 Remote Similarity NPD6317 Approved
0.6552 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6549 Remote Similarity NPD4767 Approved
0.6549 Remote Similarity NPD4768 Approved
0.6542 Remote Similarity NPD6001 Approved
0.6538 Remote Similarity NPD5208 Approved
0.6529 Remote Similarity NPD6319 Approved
0.6518 Remote Similarity NPD4754 Approved
0.6509 Remote Similarity NPD5284 Approved
0.6509 Remote Similarity NPD5281 Approved
0.6509 Remote Similarity NPD6050 Approved
0.6509 Remote Similarity NPD7637 Suspended
0.6509 Remote Similarity NPD5693 Phase 1
0.6505 Remote Similarity NPD5279 Phase 3
0.6505 Remote Similarity NPD6422 Discontinued
0.6504 Remote Similarity NPD6067 Discontinued
0.65 Remote Similarity NPD6313 Approved
0.65 Remote Similarity NPD6314 Approved
0.6481 Remote Similarity NPD4629 Approved
0.6481 Remote Similarity NPD5210 Approved
0.6476 Remote Similarity NPD6051 Approved
0.6471 Remote Similarity NPD4197 Approved
0.6435 Remote Similarity NPD4729 Approved
0.6435 Remote Similarity NPD4730 Approved
0.6435 Remote Similarity NPD5128 Approved
0.6422 Remote Similarity NPD7839 Suspended
0.6415 Remote Similarity NPD5692 Phase 3
0.64 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6392 Remote Similarity NPD8039 Approved
0.6373 Remote Similarity NPD4788 Approved
0.6373 Remote Similarity NPD7154 Phase 3
0.6371 Remote Similarity NPD7604 Phase 2
0.6364 Remote Similarity NPD3617 Approved

Structure

External Identifiers

PubChem CID   23651014
ChEMBL   CHEMBL1079242
ZINC  

Physicochemical Properties

Molecular Weight:  512.39
ALogP:  1.7741
MLogP:  4.65
XLogP:  10.579
# Rotatable Bonds:  10
Polar Surface Area:  55.76
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  37

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs